{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl}methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl}methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl}methanone
Compound characteristics
| Compound ID: | E958-0327 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl}methanone |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C24 H28 N6 O3 S |
| Smiles: | C1CC(CN(C1)c1nnc(n2cccc2)s1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9419 |
| logD: | 2.4736 |
| logSw: | -3.1029 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.048 |
| InChI Key: | VESULAVTKJNTLT-IBGZPJMESA-N |